SCHEMBL6875451

SCHEMBL6875451

CCCc1ccccc1NC(=O)NC1CCC(Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MCHR1 Q99705 15/20 0.40
ADRA2A P08913 13/20 0.40
HRH1 P35367 5/20 0.38
HTR2B P41595 5/20 0.38
ADRA1A P35348 3/20 0.38
HTR1A P08908 1/20 0.38
NPY5R Q15761 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
EPHX2 P34913 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6875445 1.00 KMT2A (0.47) KMT2AMCHR1ADRA2AHRH1HTR2B
SCHEMBL6458231 0.94 KMT2A (0.54) KMT2AMCHR1ADRA2AHRH1HTR2B
SCHEMBL6458222 0.94 KMT2A (0.54) KMT2AMCHR1ADRA2AHRH1HTR2B
SCHEMBL6880206 0.90 MCHR1 (0.40) KMT2AMCHR1ADRA2AHRH1HTR2B
SCHEMBL6880209 0.90 MCHR1 (0.40) KMT2AMCHR1ADRA2AHRH1HTR2B
SCHEMBL6873382 0.89 KMT2A (0.44) KMT2AMCHR1ADRA2AHRH1HTR2B
SCHEMBL6877651 0.87 EPHX2 (0.44) KMT2AMCHR1ADRA2AHRH1HTR2B
SCHEMBL6877658 0.87 EPHX2 (0.44) KMT2AMCHR1ADRA2AHRH1HTR2B
SCHEMBL6869037 0.85 KMT2A (0.52) KMT2AMCHR1ADRA2AHRH1HTR2B
SCHEMBL6875520 0.85 MCHR1 (0.44) KMT2AMCHR1ADRA2AHRH1HTR2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed